################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_MTF-1_F5-6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode MTF-1_F5-6 _Assigned_chem_shift_list.Entry_ID 6408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $all_samples . 6408 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CA C 13 62.2 0.31 . 1 . . . . . . . . 6408 1 2 . 1 1 2 2 PHE H H 1 8.17 0.015 . 1 . . . . . . . . 6408 1 3 . 1 1 2 2 PHE C C 13 174.5 0.08 . 1 . . . . . . . . 6408 1 4 . 1 1 2 2 PHE CA C 13 57.9 0.31 . 1 . . . . . . . . 6408 1 5 . 1 1 2 2 PHE CB C 13 39.9 0.31 . 1 . . . . . . . . 6408 1 6 . 1 1 2 2 PHE N N 15 122.7 0.14 . 1 . . . . . . . . 6408 1 7 . 1 1 3 3 ARG H H 1 8.81 0.015 . 1 . . . . . . . . 6408 1 8 . 1 1 3 3 ARG C C 13 174.6 0.08 . 1 . . . . . . . . 6408 1 9 . 1 1 3 3 ARG CA C 13 55.4 0.31 . 1 . . . . . . . . 6408 1 10 . 1 1 3 3 ARG CB C 13 32.9 0.31 . 1 . . . . . . . . 6408 1 11 . 1 1 3 3 ARG N N 15 125.7 0.14 . 1 . . . . . . . . 6408 1 12 . 1 1 4 4 CYS H H 1 8.89 0.015 . 1 . . . . . . . . 6408 1 13 . 1 1 4 4 CYS C C 13 175.9 0.08 . 1 . . . . . . . . 6408 1 14 . 1 1 4 4 CYS CA C 13 61.0 0.31 . 1 . . . . . . . . 6408 1 15 . 1 1 4 4 CYS CB C 13 30.7 0.31 . 1 . . . . . . . . 6408 1 16 . 1 1 4 4 CYS N N 15 127.8 0.14 . 1 . . . . . . . . 6408 1 17 . 1 1 5 5 ASP H H 1 8.65 0.015 . 1 . . . . . . . . 6408 1 18 . 1 1 5 5 ASP C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 19 . 1 1 5 5 ASP CA C 13 54.0 0.31 . 1 . . . . . . . . 6408 1 20 . 1 1 5 5 ASP CB C 13 41.2 0.31 . 1 . . . . . . . . 6408 1 21 . 1 1 5 5 ASP N N 15 129.9 0.14 . 1 . . . . . . . . 6408 1 22 . 1 1 6 6 HIS H H 1 8.93 0.015 . 1 . . . . . . . . 6408 1 23 . 1 1 6 6 HIS C C 13 176.4 0.08 . 1 . . . . . . . . 6408 1 24 . 1 1 6 6 HIS CA C 13 58.4 0.31 . 1 . . . . . . . . 6408 1 25 . 1 1 6 6 HIS CB C 13 30.5 0.31 . 1 . . . . . . . . 6408 1 26 . 1 1 6 6 HIS N N 15 125.7 0.14 . 1 . . . . . . . . 6408 1 27 . 1 1 7 7 ASP H H 1 8.34 0.015 . 1 . . . . . . . . 6408 1 28 . 1 1 7 7 ASP C C 13 177.1 0.08 . 1 . . . . . . . . 6408 1 29 . 1 1 7 7 ASP CA C 13 56.5 0.31 . 1 . . . . . . . . 6408 1 30 . 1 1 7 7 ASP CB C 13 40.8 0.31 . 1 . . . . . . . . 6408 1 31 . 1 1 7 7 ASP N N 15 129.7 0.14 . 1 . . . . . . . . 6408 1 32 . 1 1 8 8 GLY H H 1 8.72 0.015 . 1 . . . . . . . . 6408 1 33 . 1 1 8 8 GLY C C 13 173.1 0.08 . 1 . . . . . . . . 6408 1 34 . 1 1 8 8 GLY CA C 13 45.7 0.31 . 1 . . . . . . . . 6408 1 35 . 1 1 8 8 GLY N N 15 113.4 0.14 . 1 . . . . . . . . 6408 1 36 . 1 1 9 9 CYS H H 1 7.85 0.015 . 1 . . . . . . . . 6408 1 37 . 1 1 9 9 CYS C C 13 175.8 0.08 . 1 . . . . . . . . 6408 1 38 . 1 1 9 9 CYS CA C 13 60.8 0.31 . 1 . . . . . . . . 6408 1 39 . 1 1 9 9 CYS CB C 13 30.0 0.31 . 1 . . . . . . . . 6408 1 40 . 1 1 9 9 CYS N N 15 124.4 0.14 . 1 . . . . . . . . 6408 1 41 . 1 1 10 10 GLY H H 1 8.34 0.015 . 1 . . . . . . . . 6408 1 42 . 1 1 10 10 GLY C C 13 174.4 0.08 . 1 . . . . . . . . 6408 1 43 . 1 1 10 10 GLY CA C 13 45.1 0.31 . 1 . . . . . . . . 6408 1 44 . 1 1 10 10 GLY N N 15 106.3 0.14 . 1 . . . . . . . . 6408 1 45 . 1 1 11 11 LYS H H 1 7.91 0.015 . 1 . . . . . . . . 6408 1 46 . 1 1 11 11 LYS C C 13 174.0 0.08 . 1 . . . . . . . . 6408 1 47 . 1 1 11 11 LYS CA C 13 57.9 0.31 . 1 . . . . . . . . 6408 1 48 . 1 1 11 11 LYS CB C 13 33.8 0.31 . 1 . . . . . . . . 6408 1 49 . 1 1 11 11 LYS N N 15 122.6 0.14 . 1 . . . . . . . . 6408 1 50 . 1 1 12 12 ALA H H 1 7.75 0.015 . 1 . . . . . . . . 6408 1 51 . 1 1 12 12 ALA C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 52 . 1 1 12 12 ALA CA C 13 50.4 0.31 . 1 . . . . . . . . 6408 1 53 . 1 1 12 12 ALA CB C 13 22.1 0.31 . 1 . . . . . . . . 6408 1 54 . 1 1 12 12 ALA N N 15 122.9 0.14 . 1 . . . . . . . . 6408 1 55 . 1 1 13 13 PHE H H 1 8.49 0.015 . 1 . . . . . . . . 6408 1 56 . 1 1 13 13 PHE C C 13 175.4 0.08 . 1 . . . . . . . . 6408 1 57 . 1 1 13 13 PHE CA C 13 57.2 0.31 . 1 . . . . . . . . 6408 1 58 . 1 1 13 13 PHE CB C 13 44.3 0.31 . 1 . . . . . . . . 6408 1 59 . 1 1 13 13 PHE N N 15 117.4 0.14 . 1 . . . . . . . . 6408 1 60 . 1 1 14 14 ALA C C 13 177.4 0.08 . 1 . . . . . . . . 6408 1 61 . 1 1 14 14 ALA CA C 13 53.9 0.31 . 1 . . . . . . . . 6408 1 62 . 1 1 14 14 ALA CB C 13 19.6 0.31 . 1 . . . . . . . . 6408 1 63 . 1 1 15 15 ALA H H 1 7.58 0.015 . 1 . . . . . . . . 6408 1 64 . 1 1 15 15 ALA C C 13 177.4 0.08 . 1 . . . . . . . . 6408 1 65 . 1 1 15 15 ALA CA C 13 50.4 0.31 . 1 . . . . . . . . 6408 1 66 . 1 1 15 15 ALA CB C 13 21.9 0.31 . 1 . . . . . . . . 6408 1 67 . 1 1 15 15 ALA N N 15 117.9 0.14 . 1 . . . . . . . . 6408 1 68 . 1 1 16 16 SER H H 1 8.43 0.015 . 1 . . . . . . . . 6408 1 69 . 1 1 16 16 SER C C 13 177.5 0.08 . 1 . . . . . . . . 6408 1 70 . 1 1 16 16 SER CA C 13 58.4 0.31 . 1 . . . . . . . . 6408 1 71 . 1 1 16 16 SER CB C 13 64.0 0.31 . 1 . . . . . . . . 6408 1 72 . 1 1 16 16 SER N N 15 119.8 0.14 . 1 . . . . . . . . 6408 1 73 . 1 1 17 17 HIS C C 13 177.5 0.08 . 1 . . . . . . . . 6408 1 74 . 1 1 17 17 HIS CA C 13 59.3 0.31 . 1 . . . . . . . . 6408 1 75 . 1 1 17 17 HIS CB C 13 29.5 0.31 . 1 . . . . . . . . 6408 1 76 . 1 1 18 18 HIS H H 1 6.16 0.015 . 1 . . . . . . . . 6408 1 77 . 1 1 18 18 HIS C C 13 178.5 0.08 . 1 . . . . . . . . 6408 1 78 . 1 1 18 18 HIS CA C 13 57.3 0.31 . 1 . . . . . . . . 6408 1 79 . 1 1 18 18 HIS CB C 13 31.8 0.31 . 1 . . . . . . . . 6408 1 80 . 1 1 18 18 HIS N N 15 119.8 0.14 . 1 . . . . . . . . 6408 1 81 . 1 1 19 19 LEU H H 1 6.86 0.015 . 1 . . . . . . . . 6408 1 82 . 1 1 19 19 LEU C C 13 177.1 0.08 . 1 . . . . . . . . 6408 1 83 . 1 1 19 19 LEU CA C 13 57.8 0.31 . 1 . . . . . . . . 6408 1 84 . 1 1 19 19 LEU CB C 13 40.7 0.31 . 1 . . . . . . . . 6408 1 85 . 1 1 19 19 LEU N N 15 121.5 0.14 . 1 . . . . . . . . 6408 1 86 . 1 1 20 20 LYS H H 1 7.88 0.015 . 1 . . . . . . . . 6408 1 87 . 1 1 20 20 LYS C C 13 179.1 0.08 . 1 . . . . . . . . 6408 1 88 . 1 1 20 20 LYS CA C 13 59.9 0.31 . 1 . . . . . . . . 6408 1 89 . 1 1 20 20 LYS CB C 13 32.2 0.31 . 1 . . . . . . . . 6408 1 90 . 1 1 20 20 LYS N N 15 119.2 0.14 . 1 . . . . . . . . 6408 1 91 . 1 1 21 21 THR H H 1 7.59 0.015 . 1 . . . . . . . . 6408 1 92 . 1 1 21 21 THR C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 93 . 1 1 21 21 THR CA C 13 66.1 0.31 . 1 . . . . . . . . 6408 1 94 . 1 1 21 21 THR CB C 13 68.7 0.31 . 1 . . . . . . . . 6408 1 95 . 1 1 21 21 THR N N 15 114.8 0.14 . 1 . . . . . . . . 6408 1 96 . 1 1 22 22 HIS H H 1 7.45 0.015 . 1 . . . . . . . . 6408 1 97 . 1 1 22 22 HIS C C 13 178.3 0.08 . 1 . . . . . . . . 6408 1 98 . 1 1 22 22 HIS CA C 13 59.5 0.31 . 1 . . . . . . . . 6408 1 99 . 1 1 22 22 HIS CB C 13 28.8 0.31 . 1 . . . . . . . . 6408 1 100 . 1 1 22 22 HIS N N 15 121.7 0.14 . 1 . . . . . . . . 6408 1 101 . 1 1 23 23 VAL H H 1 8.75 0.015 . 1 . . . . . . . . 6408 1 102 . 1 1 23 23 VAL C C 13 177.8 0.08 . 1 . . . . . . . . 6408 1 103 . 1 1 23 23 VAL CA C 13 66.7 0.31 . 1 . . . . . . . . 6408 1 104 . 1 1 23 23 VAL CB C 13 31.9 0.31 . 1 . . . . . . . . 6408 1 105 . 1 1 23 23 VAL N N 15 120.0 0.14 . 1 . . . . . . . . 6408 1 106 . 1 1 24 24 ARG H H 1 6.89 0.015 . 1 . . . . . . . . 6408 1 107 . 1 1 24 24 ARG C C 13 178.1 0.08 . 1 . . . . . . . . 6408 1 108 . 1 1 24 24 ARG CA C 13 58.3 0.31 . 1 . . . . . . . . 6408 1 109 . 1 1 24 24 ARG CB C 13 30.0 0.31 . 1 . . . . . . . . 6408 1 110 . 1 1 24 24 ARG N N 15 118.9 0.14 . 1 . . . . . . . . 6408 1 111 . 1 1 25 25 THR H H 1 7.72 0.015 . 1 . . . . . . . . 6408 1 112 . 1 1 25 25 THR C C 13 175.7 0.08 . 1 . . . . . . . . 6408 1 113 . 1 1 25 25 THR CA C 13 64.1 0.31 . 1 . . . . . . . . 6408 1 114 . 1 1 25 25 THR CB C 13 69.3 0.31 . 1 . . . . . . . . 6408 1 115 . 1 1 25 25 THR N N 15 110.7 0.14 . 1 . . . . . . . . 6408 1 116 . 1 1 26 26 HIS H H 1 7.10 0.015 . 1 . . . . . . . . 6408 1 117 . 1 1 26 26 HIS C C 13 175.5 0.08 . 1 . . . . . . . . 6408 1 118 . 1 1 26 26 HIS CA C 13 55.8 0.31 . 1 . . . . . . . . 6408 1 119 . 1 1 26 26 HIS CB C 13 28.5 0.31 . 1 . . . . . . . . 6408 1 120 . 1 1 26 26 HIS N N 15 119.3 0.14 . 1 . . . . . . . . 6408 1 121 . 1 1 27 27 THR H H 1 7.61 0.015 . 1 . . . . . . . . 6408 1 122 . 1 1 27 27 THR C C 13 175.1 0.08 . 1 . . . . . . . . 6408 1 123 . 1 1 27 27 THR CA C 13 62.3 0.31 . 1 . . . . . . . . 6408 1 124 . 1 1 27 27 THR N N 15 113.4 0.14 . 1 . . . . . . . . 6408 1 125 . 1 1 28 28 GLY H H 1 8.28 0.015 . 1 . . . . . . . . 6408 1 126 . 1 1 28 28 GLY C C 13 174.0 0.08 . 1 . . . . . . . . 6408 1 127 . 1 1 28 28 GLY CA C 13 45.5 0.31 . 1 . . . . . . . . 6408 1 128 . 1 1 28 28 GLY N N 15 111.6 0.14 . 1 . . . . . . . . 6408 1 129 . 1 1 29 29 GLU H H 1 8.06 0.015 . 1 . . . . . . . . 6408 1 130 . 1 1 29 29 GLU C C 13 176.3 0.08 . 1 . . . . . . . . 6408 1 131 . 1 1 29 29 GLU CA C 13 56.7 0.31 . 1 . . . . . . . . 6408 1 132 . 1 1 29 29 GLU CB C 13 30.7 0.31 . 1 . . . . . . . . 6408 1 133 . 1 1 29 29 GLU N N 15 121.2 0.14 . 1 . . . . . . . . 6408 1 134 . 1 1 30 30 ARG H H 1 8.34 0.015 . 1 . . . . . . . . 6408 1 135 . 1 1 30 30 ARG C C 13 174.1 0.08 . 1 . . . . . . . . 6408 1 136 . 1 1 30 30 ARG CA C 13 54.0 0.31 . 1 . . . . . . . . 6408 1 137 . 1 1 30 30 ARG CB C 13 32.9 0.31 . 1 . . . . . . . . 6408 1 138 . 1 1 30 30 ARG N N 15 123.9 0.14 . 1 . . . . . . . . 6408 1 139 . 1 1 31 31 PRO C C 13 176.0 0.08 . 1 . . . . . . . . 6408 1 140 . 1 1 31 31 PRO CA C 13 63.6 0.31 . 1 . . . . . . . . 6408 1 141 . 1 1 31 31 PRO CB C 13 32.5 0.31 . 1 . . . . . . . . 6408 1 142 . 1 1 32 32 PHE H H 1 7.93 0.015 . 1 . . . . . . . . 6408 1 143 . 1 1 32 32 PHE C C 13 174.7 0.08 . 1 . . . . . . . . 6408 1 144 . 1 1 32 32 PHE CA C 13 57.6 0.31 . 1 . . . . . . . . 6408 1 145 . 1 1 32 32 PHE CB C 13 39.6 0.31 . 1 . . . . . . . . 6408 1 146 . 1 1 32 32 PHE N N 15 118.5 0.14 . 1 . . . . . . . . 6408 1 147 . 1 1 33 33 PHE H H 1 8.30 0.015 . 1 . . . . . . . . 6408 1 148 . 1 1 33 33 PHE C C 13 173.8 0.08 . 1 . . . . . . . . 6408 1 149 . 1 1 33 33 PHE CA C 13 55.8 0.31 . 1 . . . . . . . . 6408 1 150 . 1 1 33 33 PHE CB C 13 40.5 0.31 . 1 . . . . . . . . 6408 1 151 . 1 1 33 33 PHE N N 15 123.3 0.14 . 1 . . . . . . . . 6408 1 152 . 1 1 34 34 CYS H H 1 8.38 0.015 . 1 . . . . . . . . 6408 1 153 . 1 1 34 34 CYS C C 13 175.7 0.08 . 1 . . . . . . . . 6408 1 154 . 1 1 34 34 CYS CA C 13 57.7 0.31 . 1 . . . . . . . . 6408 1 155 . 1 1 34 34 CYS CB C 13 30.9 0.31 . 1 . . . . . . . . 6408 1 156 . 1 1 34 34 CYS N N 15 126.4 0.14 . 1 . . . . . . . . 6408 1 157 . 1 1 35 35 PRO C C 13 177.1 0.08 . 1 . . . . . . . . 6408 1 158 . 1 1 35 35 PRO CA C 13 63.6 0.31 . 1 . . . . . . . . 6408 1 159 . 1 1 35 35 PRO CB C 13 32.6 0.31 . 1 . . . . . . . . 6408 1 160 . 1 1 36 36 SER H H 1 8.74 0.015 . 1 . . . . . . . . 6408 1 161 . 1 1 36 36 SER C C 13 175.7 0.08 . 1 . . . . . . . . 6408 1 162 . 1 1 36 36 SER CA C 13 60.3 0.31 . 1 . . . . . . . . 6408 1 163 . 1 1 36 36 SER CB C 13 62.9 0.31 . 1 . . . . . . . . 6408 1 164 . 1 1 36 36 SER N N 15 122.2 0.14 . 1 . . . . . . . . 6408 1 165 . 1 1 37 37 ASN H H 1 8.67 0.015 . 1 . . . . . . . . 6408 1 166 . 1 1 37 37 ASN C C 13 176.9 0.08 . 1 . . . . . . . . 6408 1 167 . 1 1 37 37 ASN CA C 13 55.7 0.31 . 1 . . . . . . . . 6408 1 168 . 1 1 37 37 ASN CB C 13 38.4 0.31 . 1 . . . . . . . . 6408 1 169 . 1 1 37 37 ASN N N 15 127.5 0.14 . 1 . . . . . . . . 6408 1 170 . 1 1 38 38 GLY H H 1 9.07 0.015 . 1 . . . . . . . . 6408 1 171 . 1 1 38 38 GLY C C 13 173.8 0.08 . 1 . . . . . . . . 6408 1 172 . 1 1 38 38 GLY CA C 13 45.7 0.31 . 1 . . . . . . . . 6408 1 173 . 1 1 38 38 GLY N N 15 115.5 0.14 . 1 . . . . . . . . 6408 1 174 . 1 1 39 39 CYS H H 1 7.88 0.015 . 1 . . . . . . . . 6408 1 175 . 1 1 39 39 CYS C C 13 176.1 0.08 . 1 . . . . . . . . 6408 1 176 . 1 1 39 39 CYS CA C 13 60.8 0.31 . 1 . . . . . . . . 6408 1 177 . 1 1 39 39 CYS CB C 13 29.4 0.31 . 1 . . . . . . . . 6408 1 178 . 1 1 39 39 CYS N N 15 123.4 0.14 . 1 . . . . . . . . 6408 1 179 . 1 1 40 40 GLU C C 13 176.2 0.08 . 1 . . . . . . . . 6408 1 180 . 1 1 40 40 GLU CA C 13 56.3 0.31 . 1 . . . . . . . . 6408 1 181 . 1 1 40 40 GLU CB C 13 29.4 0.31 . 1 . . . . . . . . 6408 1 182 . 1 1 41 41 LYS H H 1 7.99 0.015 . 1 . . . . . . . . 6408 1 183 . 1 1 41 41 LYS C C 13 175.3 0.08 . 1 . . . . . . . . 6408 1 184 . 1 1 41 41 LYS CA C 13 57.3 0.31 . 1 . . . . . . . . 6408 1 185 . 1 1 41 41 LYS CB C 13 33.6 0.31 . 1 . . . . . . . . 6408 1 186 . 1 1 41 41 LYS N N 15 122.0 0.14 . 1 . . . . . . . . 6408 1 187 . 1 1 42 42 THR H H 1 7.34 0.015 . 1 . . . . . . . . 6408 1 188 . 1 1 42 42 THR C C 13 173.4 0.08 . 1 . . . . . . . . 6408 1 189 . 1 1 42 42 THR CA C 13 59.6 0.31 . 1 . . . . . . . . 6408 1 190 . 1 1 42 42 THR CB C 13 71.8 0.31 . 1 . . . . . . . . 6408 1 191 . 1 1 42 42 THR N N 15 110.7 0.14 . 1 . . . . . . . . 6408 1 192 . 1 1 43 43 PHE H H 1 8.64 0.015 . 1 . . . . . . . . 6408 1 193 . 1 1 43 43 PHE C C 13 175.5 0.08 . 1 . . . . . . . . 6408 1 194 . 1 1 43 43 PHE CA C 13 57.6 0.31 . 1 . . . . . . . . 6408 1 195 . 1 1 43 43 PHE CB C 13 44.3 0.31 . 1 . . . . . . . . 6408 1 196 . 1 1 43 43 PHE N N 15 117.5 0.14 . 1 . . . . . . . . 6408 1 197 . 1 1 44 44 SER C C 13 174.5 0.08 . 1 . . . . . . . . 6408 1 198 . 1 1 44 44 SER CA C 13 60.1 0.31 . 1 . . . . . . . . 6408 1 199 . 1 1 44 44 SER CB C 13 64.4 0.31 . 1 . . . . . . . . 6408 1 200 . 1 1 45 45 THR H H 1 7.18 0.015 . 1 . . . . . . . . 6408 1 201 . 1 1 45 45 THR C C 13 173.5 0.08 . 1 . . . . . . . . 6408 1 202 . 1 1 45 45 THR CA C 13 59.2 0.31 . 1 . . . . . . . . 6408 1 203 . 1 1 45 45 THR CB C 13 73.2 0.31 . 1 . . . . . . . . 6408 1 204 . 1 1 45 45 THR N N 15 107.7 0.14 . 1 . . . . . . . . 6408 1 205 . 1 1 46 46 GLN H H 1 8.46 0.015 . 1 . . . . . . . . 6408 1 206 . 1 1 46 46 GLN C C 13 177.9 0.08 . 1 . . . . . . . . 6408 1 207 . 1 1 46 46 GLN CA C 13 58.5 0.31 . 1 . . . . . . . . 6408 1 208 . 1 1 46 46 GLN CB C 13 28.2 0.31 . 1 . . . . . . . . 6408 1 209 . 1 1 46 46 GLN N N 15 122.9 0.14 . 1 . . . . . . . . 6408 1 210 . 1 1 47 47 TYR H H 1 8.04 0.015 . 1 . . . . . . . . 6408 1 211 . 1 1 47 47 TYR C C 13 178.2 0.08 . 1 . . . . . . . . 6408 1 212 . 1 1 47 47 TYR CA C 13 61.2 0.31 . 1 . . . . . . . . 6408 1 213 . 1 1 47 47 TYR CB C 13 38.0 0.31 . 1 . . . . . . . . 6408 1 214 . 1 1 47 47 TYR N N 15 119.6 0.14 . 1 . . . . . . . . 6408 1 215 . 1 1 48 48 SER H H 1 7.82 0.015 . 1 . . . . . . . . 6408 1 216 . 1 1 48 48 SER C C 13 176.9 0.08 . 1 . . . . . . . . 6408 1 217 . 1 1 48 48 SER CA C 13 61.2 0.31 . 1 . . . . . . . . 6408 1 218 . 1 1 48 48 SER CB C 13 62.8 0.31 . 1 . . . . . . . . 6408 1 219 . 1 1 48 48 SER N N 15 117.2 0.14 . 1 . . . . . . . . 6408 1 220 . 1 1 49 49 LEU H H 1 7.10 0.015 . 1 . . . . . . . . 6408 1 221 . 1 1 49 49 LEU C C 13 177.5 0.08 . 1 . . . . . . . . 6408 1 222 . 1 1 49 49 LEU CA C 13 58.1 0.31 . 1 . . . . . . . . 6408 1 223 . 1 1 49 49 LEU CB C 13 40.7 0.31 . 1 . . . . . . . . 6408 1 224 . 1 1 49 49 LEU N N 15 125.0 0.14 . 1 . . . . . . . . 6408 1 225 . 1 1 50 50 LYS H H 1 8.26 0.015 . 1 . . . . . . . . 6408 1 226 . 1 1 50 50 LYS C C 13 179.6 0.08 . 1 . . . . . . . . 6408 1 227 . 1 1 50 50 LYS CA C 13 59.9 0.31 . 1 . . . . . . . . 6408 1 228 . 1 1 50 50 LYS CB C 13 31.9 0.31 . 1 . . . . . . . . 6408 1 229 . 1 1 50 50 LYS N N 15 120.0 0.14 . 1 . . . . . . . . 6408 1 230 . 1 1 51 51 SER H H 1 7.66 0.015 . 1 . . . . . . . . 6408 1 231 . 1 1 51 51 SER C C 13 176.9 0.08 . 1 . . . . . . . . 6408 1 232 . 1 1 51 51 SER CA C 13 61.2 0.31 . 1 . . . . . . . . 6408 1 233 . 1 1 51 51 SER CB C 13 62.5 0.31 . 1 . . . . . . . . 6408 1 234 . 1 1 51 51 SER N N 15 114.2 0.14 . 1 . . . . . . . . 6408 1 235 . 1 1 52 52 HIS H H 1 7.39 0.015 . 1 . . . . . . . . 6408 1 236 . 1 1 52 52 HIS C C 13 177.8 0.08 . 1 . . . . . . . . 6408 1 237 . 1 1 52 52 HIS CA C 13 59.0 0.31 . 1 . . . . . . . . 6408 1 238 . 1 1 52 52 HIS CB C 13 28.6 0.31 . 1 . . . . . . . . 6408 1 239 . 1 1 52 52 HIS N N 15 121.9 0.14 . 1 . . . . . . . . 6408 1 240 . 1 1 53 53 MET H H 1 8.29 0.015 . 1 . . . . . . . . 6408 1 241 . 1 1 53 53 MET C C 13 177.8 0.08 . 1 . . . . . . . . 6408 1 242 . 1 1 53 53 MET CA C 13 58.8 0.31 . 1 . . . . . . . . 6408 1 243 . 1 1 53 53 MET CB C 13 32.1 0.31 . 1 . . . . . . . . 6408 1 244 . 1 1 53 53 MET N N 15 118.3 0.14 . 1 . . . . . . . . 6408 1 245 . 1 1 54 54 LYS H H 1 7.06 0.015 . 1 . . . . . . . . 6408 1 246 . 1 1 54 54 LYS C C 13 177.0 0.08 . 1 . . . . . . . . 6408 1 247 . 1 1 54 54 LYS CA C 13 58.3 0.31 . 1 . . . . . . . . 6408 1 248 . 1 1 54 54 LYS CB C 13 32.1 0.31 . 1 . . . . . . . . 6408 1 249 . 1 1 54 54 LYS N N 15 118.5 0.14 . 1 . . . . . . . . 6408 1 250 . 1 1 55 55 GLY H H 1 7.53 0.015 . 1 . . . . . . . . 6408 1 251 . 1 1 55 55 GLY C C 13 174.2 0.08 . 1 . . . . . . . . 6408 1 252 . 1 1 55 55 GLY CA C 13 45.1 0.31 . 1 . . . . . . . . 6408 1 253 . 1 1 55 55 GLY N N 15 105.6 0.14 . 1 . . . . . . . . 6408 1 254 . 1 1 56 56 HIS H H 1 7.04 0.015 . 1 . . . . . . . . 6408 1 255 . 1 1 56 56 HIS C C 13 179.7 0.08 . 1 . . . . . . . . 6408 1 256 . 1 1 56 56 HIS CA C 13 57.5 0.31 . 1 . . . . . . . . 6408 1 257 . 1 1 56 56 HIS CB C 13 30.2 0.31 . 1 . . . . . . . . 6408 1 258 . 1 1 56 56 HIS N N 15 124.8 0.14 . 1 . . . . . . . . 6408 1 stop_ save_